Geometry & MOs

Info

ID:	441343
PubChem CID:	135234226
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	554.204628
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	5.49
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[3-[6-(3-fluoro-3-prop-2-enylazetidin-1-yl)pyridin-2-yl]prop-1-en-2-ylamino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1CN(C1)C2=CC=CC(=N2)CC(=O)N

DOS

IR

Vibrations